input word = C00002260

Metabolite InformationStructural formula
Name Solamargine
Formula C45H73NO15
Mw 867.49802067
CAS RN 20311-51-7
C_ID C00002260 ,
InChIKey MBWUSSKCCUMJHO-KGDIGVFGNA-N
InChICode InChI=1S/C45H73NO15/c1-19-9-14-45(46-17-19)20(2)30-28(61-45)16-27-25-8-7-23-15-24(10-12-43(23,5)26(25)11-13-44(27,30)6)57-42-39(60-41-36(53)34(51)32(49)22(4)56-41)37(54)38(29(18-47)58-42)59-40-35(52)33(50)31(48)21(3)55-40/h7,19-22,24-42,46-54H,8-18H2,1-6H3/t19-,20+,21+,22-,24+,25-,26+,27+,28+,29+,30+,31+,32+,33-,34-,35-,36-,37+,38+,39-,40+,41+,42+,43+,44+,45-/m1/s1
SMILES [C@H]1([C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]1[C@H]([C@H]([C@@H](O[C@@H]1O[C@@H]1CC2=CC[C@@H]3[C@@H]([C@]2(CC1)C)CC[C@]1([C@H]3C[C@H]2[C@@H]1[C@@H]([C@@]1(O2)NC[C@@H](CC1)C)C)C)CO)O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)O)O)O)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeSolanum aculeastrum Dunal Ref.
PlantaeSolanaceaeSolanum dulcamara Ref.
PlantaeSolanaceaeSolanum frutescens Ref.
PlantaeSolanaceaeSolanum khasianum Ref.
PlantaeSolanaceaeSolanum kieseritzkii Ref.
PlantaeSolanaceaeSolanum lycocarpum Ref.
PlantaeSolanaceaeSolanum lyratum Ref.
PlantaeSolanaceaeSolanum marginatum Ref.
PlantaeSolanaceaeSolanum melongena Ref.
PlantaeSolanaceaeSolanum nigrum L. Ref.
PlantaeSolanaceaeSolanum oleraceum Ref.
PlantaeSolanaceaeSolanum plantanifolium Ref.
PlantaeSolanaceaeSolanum robustum Wendl. Ref.
PlantaeSolanaceaeSolanum rostratum Dun. Ref.
PlantaeSolanaceaeSolanum scabrum Ref.
PlantaeSolanaceaeSolanum sodomaeum Ref.
PlantaeSolanaceaeSolanum sycophanta Dunal et DC Ref.
PlantaeSolanaceaeSolanum transcaucasicum Ref.
PlantaeSolanaceaeSolanum uporo Dun. Ref.
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